cyclohexyl 4-(propanoylcarbamothioylamino)benzoate

Systemtic Name: cyclohexyl 4-(propanoylcarbamothioylamino)benzoate Openeye Name: cyclohexyl 4-(propanoylcarbamothioylamino)benzoate CAS Name: 4-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]benzoic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-(propanoylcarbamothioylamino)benzoate Traditional Name: 4-(propionylthiocarbamoylamino)benzoic acid cyclohexyl ester Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)OC2CCCCC2

Isomeric SMILES

CCC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)OC2CCCCC2

InChI

InChI=1S/C17H22N2O3S/c1-2-15(20)19-17(23)18-13-10-8-12(9-11-13)16(21)22-14-6-4-3-5-7-14/h8-11,14H,2-7H2,1H3,(H2,18,19,20,23)